3-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)-1-pyrrolyl]propanoic acid IUPAC Name: 3-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[3-carbethoxy-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propionic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2[N+](=O)[O-])CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2[N+](=O)[O-])CCC(=O)O)C

InChI

InChI=1S/C17H18N2O6/c1-3-25-17(22)13-10-15(18(11(13)2)9-8-16(20)21)12-6-4-5-7-14(12)19(23)24/h4-7,10H,3,8-9H2,1-2H3,(H,20,21)